Concepts in calculating diffusion

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SUMMARY

This discussion centers on the calculation of diffusion, particularly in relation to the chemical potential and its role in the Arrhenius equation (D=Doexp(-Q/RT)). The user seeks data for diffusion coefficients (Do) and activation energy (Q) for 4340 steel and questions the applicability of values for Carbon in FCC (Fe) during austenitizing. The conversation highlights the importance of chemical potential gradients in diffusion calculations, especially regarding the carburization of steel influenced by silicon content. References to Mats Hillert's work are suggested for further exploration of solute effects on diffusion.

PREREQUISITES
  • Understanding of Fick's law of diffusion
  • Familiarity with the Arrhenius equation in thermodynamics
  • Knowledge of chemical potential and its role in diffusion
  • Basic principles of metallurgy, particularly regarding steel and alloying elements
NEXT STEPS
  • Research the diffusion coefficients (Do) and activation energies (Q) for 4340 steel
  • Study the effects of silicon on the carburization of steel
  • Explore Mats Hillert's publications on diffusion and solute effects
  • Learn about the mathematical representation of chemical potential gradients in diffusion
USEFUL FOR

Metallurgists, materials scientists, and engineers involved in steel processing and diffusion calculations will benefit from this discussion.

MightyQuinn
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Hello experts in diffusion,

I am having some trouble understanding some concepts in calculating diffusion. First, I understand activity (or chemical potential) drives diffusion, but where does this come into play in the calculations? Is it in the activation energy (Q) in the Arrhenius equation (D=Doexp(-Q/RT))?
Next, where can I find data online for Do and Q for materials like 4340 steel etc? Or would I just use values for Carbon in FCC (Fe) if my temperature is austenitizing? I have found some values online which do not compare at all, so I assume they are wrong!

My reason is that I want to show in calculations that a steel say 4340 (with ~no Si content) will not carburize as much as a similar steel with ~3% Si or greater. How can I show this in calculations? Its obvious that it is because of the chemical potential gradient driving C away from the Si, but how can this be shown mathimatically. I have a good bit of literature and have done several searches and I cannot not find anything explaining this very important problem.

Any help is greatly appreciated
 
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I am not a metallurgist, but I am certain that the effect of solutes such as Si on the carburization of steel have been well studied in the literature. Rather than re-invent the wheel, I would look into the work of others first: I believe Mats Hillert published quite a bit on the subject over the years, and would be a good place to start.

As for your question on diffusion: Fick's law is properly written utilizing the chemical potential gradient rather than concentration gradient. Uphill diffusion against a concentration gradient (spinodal decomposition, liquid-phase solute extraction, etc.) could never occur if it weren't for the chemical potential gradient. The concentration gradient in many cases is the dominant factor, and is often used in Fick's law with satisfactory results.
 


Sorry, I just now got your reply. Thanks for your responce. I found some interesting documentation on the subject. And I do agree with your responce and have found the solution. If anyone is interested in more, let me know.
 

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